3-(4-(Methylthio)phenyl)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)prop-2-en-1-one CAS 1798404-73-5

Purity 97%+In StockPharmaceutical Standards
CAS No.1798404-73-5
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(4-(Methylthio)phenyl)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)prop-2-en-1-one CAS 1798404-73-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 333.45 g/mol gives 3-(4-(Methylthio)phenyl)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)prop-2-en-1-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-(4-(Methylthio)phenyl)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)prop-2-en-1-one (CAS 1798404-73-5), molecular formula C18H23NO3S and molecular weight 333.45 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-(4-(Methylthio)phenyl)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)prop-2-en-1-one (C18H23NO3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 333.45 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1994
Nitrogen Atoms1
Sulfur Atoms1

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